6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide

C23H21F5N4O4 — CID 166160569

IUPAC6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc4nc(C(N)=O)cn4c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H21F5N4O4/c1-10-16(12-5-6-13(24)17(25)18(12)35-3)19(36-22(10,2)23(26,27)28)21(34)30-11-4-7-15-31-14(20(29)33)9-32(15)8-11/h4-10,16,19H,1-3H3,(H2,29,33)(H,30,34)/t10-,16-,19+,22+/m0/s1
InChIKeyRJMFVCOGMLOURN-LWDWCFRYSA-N
MW512.44 g/mol
LogP3.80
Rot. Bonds5

About 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide

6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166160569) has the molecular formula C23H21F5N4O4 and a molecular weight of 512.44 g/mol. Its IUPAC name is 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166160569
Molecular FormulaC23H21F5N4O4
Molecular Weight512.44 g/mol
Exact Mass512.15
IUPAC Name6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc4nc(C(N)=O)cn4c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H21F5N4O4/c1-10-16(12-5-6-13(24)17(25)18(12)35-3)19(36-22(10,2)23(26,27)28)21(34)30-11-4-7-15-31-14(20(29)33)9-32(15)8-11/h4-10,16,19H,1-3H3,(H2,29,33)(H,30,34)/t10-,16-,19+,22+/m0/s1
InChIKeyRJMFVCOGMLOURN-LWDWCFRYSA-N
XLogP3.80
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide (CID 166160569) is 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc4nc(C(N)=O)cn4c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RJMFVCOGMLOURN-LWDWCFRYSA-N. The full InChI is InChI=1S/C23H21F5N4O4/c1-10-16(12-5-6-13(24)17(25)18(12)35-3)19(36-22(10,2)23(26,27)28)21(34)30-11-4-7-15-31-14(20(29)33)9-32(15)8-11/h4-10,16,19H,1-3H3,(H2,29,33)(H,30,34)/t10-,16-,19+,22+/m0/s1.
What are the key properties of 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide?
6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 512.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).